2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)butanamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)butanamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)butanamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)butyramide Formula: C21H25ClN2O4S2 MolecularWeight: 469.0172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OC)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OC)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O4S2/c1-3-20(29-16-8-6-15(22)7-9-16)21(25)23-18-14-17(10-11-19(18)28-2)30(26,27)24-12-4-5-13-24/h6-11,14,20H,3-5,12-13H2,1-2H3,(H,23,25)